smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(C[NH+]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)s1	ZINC000725241023	557133040	/nfs/dbraw/zinc/13/30/40/557133040.db2.gz	SDSMATBPVWQFLN-UHFFFAOYSA-N	0	2	448.544	4.513	20	0		IJADLN
O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccc2ccccc21	ZINC000061947369	563151469	/nfs/dbraw/zinc/15/14/69/563151469.db2.gz	CYYVGYOQNIKMRG-UHFFFAOYSA-N	0	2	449.372	4.953	20	0		IJADLN
O=C(Nc1nc2ccccc2s1)c1cc(Br)cc(Br)c1O	ZINC000028245146	563052133	/nfs/dbraw/zinc/05/21/33/563052133.db2.gz	STMZAZBCYDUTSD-UHFFFAOYSA-N	0	2	428.105	4.779	20	0		IJADLN
O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Br)cc1OC(F)(F)F	ZINC000008674513	562961443	/nfs/dbraw/zinc/96/14/43/562961443.db2.gz	VCWOPMXOSRVSQT-UHFFFAOYSA-N	0	2	447.232	4.697	20	0		IJADLN